2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 2-chloranylpyridine-3-carboxylate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 2-chloranylpyridine-3-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C15H11ClN2O5S MolecularWeight: 366.77624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C15H11ClN2O5S/c16-13-11(5-3-7-17-13)15(20)23-9-8-18-14(19)10-4-1-2-6-12(10)24(18,21)22/h1-7H,8-9H2